Information card for entry 4349156

Structure parameters

• Common name: jonyj31
• Chemical name: Tp'Rh(PMe3)(OH)Br
• Formula: C18.79 H33.37 B Br1.21 N6 O0.79 P Rh
• Calculated formula: C18.7894 H33.3682 B Br1.2106 N6 O0.7894 P Rh
• Title of publication: Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.
• Authors of publication: Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9482 - 9491
• a: 10.6905 ± 0.0012 Å
• b: 18.494 ± 0.002 Å
• c: 13.2939 ± 0.0015 Å
• α: 90°
• β: 112.329 ± 0.002°
• γ: 90°
• Cell volume: 2431.3 ± 0.5 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No